User contributions for Jg2011

25 January 2014

• 00:1500:15, 25 January 2014 diff hist +67 Rep:Mod:underhill911 →GaBr3 Optimization with LanL2dz (D3H)
• 00:1200:12, 25 January 2014 diff hist +61 Rep:Mod:underhill911 →GaBr3 Optimization with LanL2dz (D3H)
• 00:0700:07, 25 January 2014 diff hist +71 Rep:Mod:underhill911 →Vibrational analysis of GaBr3
• 00:0400:04, 25 January 2014 diff hist +326 Rep:Mod:underhill911 →BH3 Molecular orbitals
• 00:0000:00, 25 January 2014 diff hist +72 Rep:Mod:underhill911 →Frequency

24 January 2014

• 23:5923:59, 24 January 2014 diff hist +63 Rep:Mod:underhill911 →NBO Analysis
• 23:5423:54, 24 January 2014 diff hist +211 Rep:Mod:underhill911 →Association Energies
• 23:5223:52, 24 January 2014 diff hist +3 Rep:Mod:underhill911 →Association Energies
• 23:4923:49, 24 January 2014 diff hist +113 Rep:Mod:underhill911 →Association Energies
• 23:4423:44, 24 January 2014 diff hist −40 Rep:Mod:underhill911 →Optimization of BH3 with keywords
• 23:4423:44, 24 January 2014 diff hist 0 Rep:Mod:underhill911 →BH3 6-31G(d,p) Optimization With Enforced Symmetry
• 23:4323:43, 24 January 2014 diff hist −143 Rep:Mod:underhill911 →Frequency
• 23:3723:37, 24 January 2014 diff hist −48 Rep:Mod:underhill911 →Frequency
• 23:3623:36, 24 January 2014 diff hist −35 Rep:Mod:underhill911 →Comparison of the vibrations of GaBr3 and BH3
• 23:3523:35, 24 January 2014 diff hist −47 Rep:Mod:underhill911 →Vibrational analysis of GaBr3
• 23:3023:30, 24 January 2014 diff hist −48 Rep:Mod:underhill911 →Vibrational frequency of BH3
• 23:2623:26, 24 January 2014 diff hist 0 Rep:Mod:underhill911 →Comparison Of Bond Lengths
• 23:2523:25, 24 January 2014 diff hist −12 Rep:Mod:underhill911 →Comparison Of Bond Lengths
• 23:2423:24, 24 January 2014 diff hist −6 Rep:Mod:underhill911 →Pseudo-Potential and Basis set for BBr3
• 23:2423:24, 24 January 2014 diff hist −10 Rep:Mod:underhill911 →BBr3 Optimization with LanL2dz (D3H)
• 23:2323:23, 24 January 2014 diff hist −10 Rep:Mod:underhill911 →GaBr3 Optimization with LanL2dz (D3H)
• 23:2223:22, 24 January 2014 diff hist −10 Rep:Mod:underhill911 →C3v symmetry
• 23:2123:21, 24 January 2014 diff hist −10 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 23:2123:21, 24 January 2014 diff hist −12 Rep:Mod:underhill911 →BH3 Optimization for 3-21G Basis Set
• 15:0315:03, 24 January 2014 diff hist +1,104 Rep:Mod:underhill911 →BH3 6-31G(d,p) Optimization With Enforced Symmetry
• 15:0015:00, 24 January 2014 diff hist 0 N File:JG NH3 OPT KEYWORDS.LOG No edit summary current
• 13:4713:47, 24 January 2014 diff hist +70 Rep:Mod:underhill911 →NH3BH3
• 13:2913:29, 24 January 2014 diff hist −35 Rep:Mod:underhill911 →Frequency
• 13:2813:28, 24 January 2014 diff hist +159 Rep:Mod:underhill911 →NH3
• 13:2413:24, 24 January 2014 diff hist +236 Rep:Mod:underhill911 →BH3 Molecular orbitals
• 12:4812:48, 24 January 2014 diff hist −21 Rep:Mod:underhill911 →NH3
• 12:4612:46, 24 January 2014 diff hist −26 Rep:Mod:underhill911 →Vibrational analysis of GaBr3
• 12:4512:45, 24 January 2014 diff hist −22 Rep:Mod:underhill911 →Optimization with D3h
• 12:4312:43, 24 January 2014 diff hist −54 Rep:Mod:underhill911 →No symmetry constraints
• 12:4112:41, 24 January 2014 diff hist +341 Rep:Mod:underhill911 →BBr3 Optimization with LanL2dz (D3H)
• 12:3812:38, 24 January 2014 diff hist −1,506 Rep:Mod:underhill911 →BH3 Optimization with LanL2dz (D3H)
• 12:3712:37, 24 January 2014 diff hist +187 Rep:Mod:underhill911 →The effect of changing the ligand
• 12:1112:11, 24 January 2014 diff hist +35 Rep:Mod:underhill911 →Comparison of the vibrations of GaBr3 and BH3
• 12:0912:09, 24 January 2014 diff hist +526 Rep:Mod:underhill911 →Comparison of the vibrations of GaBr3 and BH3
• 12:0112:01, 24 January 2014 diff hist +21 Rep:Mod:underhill911 →Comparison of the vibrations of GaBr3 and BH3
• 11:2711:27, 24 January 2014 diff hist −528 Rep:Mod:underhill911 →Frequency

23 January 2014

• 23:4223:42, 23 January 2014 diff hist +56 Rep:Mod:underhill911 →BH3 Molecular orbitals
• 23:4123:41, 23 January 2014 diff hist 0 N File:JG MO BH3.png No edit summary current
• 23:3423:34, 23 January 2014 diff hist +104 Rep:Mod:underhill911 →NBO Analysis
• 23:2923:29, 23 January 2014 diff hist −14 Rep:Mod:underhill911 →Frequency
• 23:2823:28, 23 January 2014 diff hist +175 Rep:Mod:underhill911 →NBO Analysis
• 23:2523:25, 23 January 2014 diff hist 0 N File:NH3 MO.png No edit summary current
• 23:2223:22, 23 January 2014 diff hist +12 Rep:Mod:underhill911 →NBO Analysis
• 23:2123:21, 23 January 2014 diff hist +137 Rep:Mod:underhill911 →NBO Analysis
• 23:1923:19, 23 January 2014 diff hist 0 N File:Mo 5.png No edit summary